(1S,5R)-2,7,7-Trimethylbicyclo[3.1.1]Hept-2-En-6-One

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Properties Simple | Detailed

Formula C10H14O
IUPAC Name (1r,5s)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-one
Molecular Mass 150.218 g·mol−1
Heat of Formation -89.1 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 201.68 Å 3
Surface Area 187.82 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 3.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s)-4,7,7-trimethyl-6-bicyclo[3.1.1]hept-3-enone
  • (1r,5s)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-6-one
InChIKey IECBDTGWSQNQID-JGVFFNPUSA-N
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Elements H C O